5-tridecan-7-yl-1H-pyrazole

C16H30N2 — CID 126625738

IUPAC5-tridecan-7-yl-1H-pyrazole
SMILESCCCCCCC(CCCCCC)c1ccn[nH]1
InChIInChI=1S/C16H30N2/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3,(H,17,18)
InChIKeyRHILYPACMKOBOD-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.43
Rot. Bonds11

About 5-tridecan-7-yl-1H-pyrazole

5-tridecan-7-yl-1H-pyrazole (PubChem CID 126625738) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 5-tridecan-7-yl-1H-pyrazole.

Molecular Properties

Compound Name5-tridecan-7-yl-1H-pyrazole
PubChem CID126625738
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name5-tridecan-7-yl-1H-pyrazole
SMILESCCCCCCC(CCCCCC)c1ccn[nH]1
InChIInChI=1S/C16H30N2/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3,(H,17,18)
InChIKeyRHILYPACMKOBOD-UHFFFAOYSA-N
XLogP5.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-pentyloctyl)-1H-pyrazole
CID 155244347
5-hexyl-1H-pyrazole;hydrobromide
CID 174992148
5-pentyl-1H-pyrazole
CID 13433979
N-[1-(1H-pyrazol-5-yl)ethyl]pentan-2-amine
CID 60972648
5-tridecan-7-yl-1,2-oxazole
CID 129119841
2-tridecan-6-ylpyridine
CID 139295924
5-dodecan-6-yl-1,2-thiazole
CID 134557589
3-tridecan-7-ylpyridine
CID 129119745
3-dodecan-6-yl-4-methylpyridine
CID 129130745
2-nonan-3-yl-1H-pyrrole
CID 139299557
1-methyl-4-undecan-6-ylbenzene
CID 54207407
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of 5-tridecan-7-yl-1H-pyrazole?
The IUPAC name of 5-tridecan-7-yl-1H-pyrazole (CID 126625738) is 5-tridecan-7-yl-1H-pyrazole.
What is the SMILES notation for 5-tridecan-7-yl-1H-pyrazole?
The canonical SMILES for 5-tridecan-7-yl-1H-pyrazole is CCCCCCC(CCCCCC)c1ccn[nH]1.
What is the InChIKey of 5-tridecan-7-yl-1H-pyrazole?
The InChIKey is RHILYPACMKOBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-14-17-18-16/h13-15H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 5-tridecan-7-yl-1H-pyrazole?
5-tridecan-7-yl-1H-pyrazole has a molecular weight of 250.43 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tridecan-7-yl-1H-pyrazole is sourced from PubChem (CID 126625738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).